2-methylpropyl N-(2-oxochromen-3-yl)carbamate

C14H15NO4 — CID 73353370

IUPAC2-methylpropyl N-(2-oxochromen-3-yl)carbamate
SMILESCC(C)COC(=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO4/c1-9(2)8-18-14(17)15-11-7-10-5-3-4-6-12(10)19-13(11)16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyWJDOZVLLYHCHJG-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.00
Rot. Bonds3

About 2-methylpropyl N-(2-oxochromen-3-yl)carbamate

2-methylpropyl N-(2-oxochromen-3-yl)carbamate (PubChem CID 73353370) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methylpropyl N-(2-oxochromen-3-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-oxochromen-3-yl)carbamate
PubChem CID73353370
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-methylpropyl N-(2-oxochromen-3-yl)carbamate
SMILESCC(C)COC(=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO4/c1-9(2)8-18-14(17)15-11-7-10-5-3-4-6-12(10)19-13(11)16/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyWJDOZVLLYHCHJG-UHFFFAOYSA-N
XLogP3.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-oxochromen-3-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-oxochromen-3-yl)carbamate (CID 73353370) is 2-methylpropyl N-(2-oxochromen-3-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-oxochromen-3-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-oxochromen-3-yl)carbamate is CC(C)COC(=O)Nc1cc2ccccc2oc1=O.
What is the InChIKey of 2-methylpropyl N-(2-oxochromen-3-yl)carbamate?
The InChIKey is WJDOZVLLYHCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(2)8-18-14(17)15-11-7-10-5-3-4-6-12(10)19-13(11)16/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of 2-methylpropyl N-(2-oxochromen-3-yl)carbamate?
2-methylpropyl N-(2-oxochromen-3-yl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-oxochromen-3-yl)carbamate is sourced from PubChem (CID 73353370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).